9(R)-Hete
Basic information
- CAS
107656-14-4- Standard SMILES
CCCCC/C=C\C/C=C\C[C@@H](O)/C=C/C=C\CCCC(=O)O- InChIKey
KATOYYZUTNAWSA-AZFZJQGOSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Overview
9R-HETE is a hydroxy fatty acid and a polyunsaturated fatty acid.
Names & identifiers
- Preferred name
- 9(R)-Hete
- IUPAC
- (5Z,7E,9R,11Z,14Z)-9-hydroxyicosa-5,7,11,14-tetraenoic acid
- English name
- 9(R)-HETE
- Molecular formula
- C20H32O3
- Molecular weight
- 320.47
Names & synonyms
9(R)-Hete107656-14-49R-HETE(5Z,7E,9R,11Z,14Z)-9-hydroxyicosa-5,7,11,14-tetraenoic acid9R-hydroxy-5Z,7E,11Z,14Z-eicosatetraenoic acidorb1692910SCHEMBL29926582CHEBI:165288DTXSID401185849LMFA03060026AKOS040755805PD020976
Show more names
9(R) HETE,9(R)HETEKATOYYZUTNAWSA-AZFZJQGOSA-N9(R)-hydroxy-5(Z),7(E),11(Z),14(Z)-ETA9(R)-hydroxy-(5Z,7E,11Z,14Z)-*eicosatetraenoic ac5,7,11,14-Eicosatetraenoic acid, 9-hydroxy-, (5Z,7E,9R,11Z,14Z)-
HY-115408CS-0085956T37410SR-01000946919SR-01000946919-1(5Z,7E,9R,11Z,14Z)-9-Hydroxy-5,7,11,14-eicosatetraenoic acid
Database identifiers
- CAS
107656-14-4- PubChem CID
- 5283166
- DTXSID
DTXSID401185849- ChEBI
CHEBI:165288
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Physicochemical properties
- Boiling point
- 487.7 · 487.7±33.0 °C(Predicted)
- Density
- 0.984 · 0.984±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 0.1 M · 0.1 M Na2CO3: 2 mg/ml; DMF: Miscible; DMSO: Miscible; Ethanol: Miscible; PBS pH 7.2: 0.8 mg/ml
- pka
- 4.73 · 4.73±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02
Chemistry & industry
Applications
Uses9(R)-HETE is an enantiomer which makes up 50% of (±)9-HETE. At a concentration of 300 nM, 9(R)-HETE activates RXRγ-dependent transcription 1.5 fold relative to a control.1 Stereochemical assignment of the (R) enantiomer is based on comparison of chiral HPLC retention times to published results.
Additional notes
DefinitionChEBI: 9R-HETE is a polyunsaturated fatty acid and a hydroxy fatty acid.
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Compound notes
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